Vitas-M small molecule compound
2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK154231
SMILES O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H16N4O3S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O3S/c27-20(16-7-3-1-4-8-16)15-30-22-24-23-21(25(22)18-9-5-2-6-10-18)17-11-13-19(14-12-17)26(28)29/h1-14H,15H2InChIKey
GNKYQTIVAYFCTP-UHFFFAOYSA-NSynonyms
2((5(4nitrophenyl)4phenyl124triazol3yl)sulfanyl)1phenylethanone
2((5(4NITROPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H16N4O3Sc2720(167314816)153022242321(25(22)1895261018)17111319(141217)26(28)29h114H15H2
MFCD02226565
O=C(c1ccccc1)CSc1nnc(n1c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000000888311
ZINC00888311
ZINC888311
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